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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:delphinidin 3-O-rutinoside-7-O-beta-D-glucoside betaine
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Accession:CHEBI:145695 term browser browse the term
Definition:A conjugate base of delphinidin 3-O-rutinoside-7-O-beta-D-glucoside arising from selective deprotonation of the 5-hydroxy group; major species at pH 7.3.
Synonyms:exact_synonym: 3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-7-(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)chromenium-5-olate
 related_synonym: 3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-7-(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-1-ium-5-olate;   Formula=C33H40O21;   InChI=1S/C33H40O21/c1-9-20(38)24(42)27(45)31(49-9)48-8-19-23(41)26(44)29(47)33(54-19)52-17-6-12-13(35)4-11(50-32-28(46)25(43)22(40)18(7-34)53-32)5-16(12)51-30(17)10-2-14(36)21(39)15(37)3-10/h2-6,9,18-20,22-29,31-34,38,40-47H,7-8H2,1H3,(H3-,35,36,37,39)/t9-,18+,19+,20-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1;   InChIKey=RNPFWTUNILZAAJ-GNQVHQKOSA-N;   SMILES=[O-]C=1C2=CC(=C([O+]=C2C=C(O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C1)C4=CC(O)=C(O)C(O)=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)O)O
 xref: MetaCyc:CPD-16558
 cyclic_relationship: is_conjugate_base_of CHEBI:145693


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    chemical entity 5080
      molecular entity 5051
        polyatomic entity 5032
          molecule 4901
            organic molecule 4874
              dipolar compound 35
                zwitterion 35
                  onium betaine 35
                    oxonium betaine 0
                      delphinidin 3-O-rutinoside-7-O-beta-D-glucoside betaine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            organic molecule 4874
                              dipolar compound 35
                                zwitterion 35
                                  onium betaine 35
                                    oxonium betaine 0
                                      delphinidin 3-O-rutinoside-7-O-beta-D-glucoside betaine 0
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